N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-piperidin-3-ylbenzamide

C21H30N4O2 — CID 77095831

IUPACN-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-piperidin-3-ylbenzamide
SMILESCCN(Cc1noc(CC(C)C)n1)C(=O)c1cccc(C2CCCNC2)c1
InChIInChI=1S/C21H30N4O2/c1-4-25(14-19-23-20(27-24-19)11-15(2)3)21(26)17-8-5-7-16(12-17)18-9-6-10-22-13-18/h5,7-8,12,15,18,22H,4,6,9-11,13-14H2,1-3H3
InChIKeyQLJJPXYUHNNTHP-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.40
Rot. Bonds7

About N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-piperidin-3-ylbenzamide

N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-piperidin-3-ylbenzamide (PubChem CID 77095831) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-piperidin-3-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-piperidin-3-ylbenzamide
PubChem CID77095831
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-piperidin-3-ylbenzamide
SMILESCCN(Cc1noc(CC(C)C)n1)C(=O)c1cccc(C2CCCNC2)c1
InChIInChI=1S/C21H30N4O2/c1-4-25(14-19-23-20(27-24-19)11-15(2)3)21(26)17-8-5-7-16(12-17)18-9-6-10-22-13-18/h5,7-8,12,15,18,22H,4,6,9-11,13-14H2,1-3H3
InChIKeyQLJJPXYUHNNTHP-UHFFFAOYSA-N
XLogP3.40
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-3-piperidin-3-ylbenzamide
CID 72858448
2-[3-[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]carbamoyl]anilino]acetic acid
CID 46993302
N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-amine;dihydrochloride
CID 154889034
N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 154884865
N-ethyl-1-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-phenylpyrrole-2-carboxamide
CID 77094118
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97186489
3-piperidin-3-yl-N-propan-2-ylbenzamide;hydrochloride
CID 172654397
N-ethyl-5-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 74238767
N-methyl-3-piperidin-3-yl-N-(quinoxalin-2-ylmethyl)benzamide
CID 72891203
1-ethyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 118779709
3-[(1R,5S)-8-[3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 68577031
N-butyl-3-piperidin-3-ylbenzamide
CID 172654408

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-piperidin-3-ylbenzamide?
The IUPAC name of N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-piperidin-3-ylbenzamide (CID 77095831) is N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-piperidin-3-ylbenzamide.
What is the SMILES notation for N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-piperidin-3-ylbenzamide?
The canonical SMILES for N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-piperidin-3-ylbenzamide is CCN(Cc1noc(CC(C)C)n1)C(=O)c1cccc(C2CCCNC2)c1.
What is the InChIKey of N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-piperidin-3-ylbenzamide?
The InChIKey is QLJJPXYUHNNTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-4-25(14-19-23-20(27-24-19)11-15(2)3)21(26)17-8-5-7-16(12-17)18-9-6-10-22-13-18/h5,7-8,12,15,18,22H,4,6,9-11,13-14H2,1-3H3.
What are the key properties of N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-piperidin-3-ylbenzamide?
N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-piperidin-3-ylbenzamide has a molecular weight of 370.50 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-piperidin-3-ylbenzamide is sourced from PubChem (CID 77095831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).